4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-(2-methoxyethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

C18H21N5O3S — CID 118734658

IUPAC4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-(2-methoxyethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCCNC(=O)c1sc2ncnc(Nc3cc(C)cn(C)c3=O)c2c1C
InChIInChI=1S/C18H21N5O3S/c1-10-7-12(18(25)23(3)8-10)22-15-13-11(2)14(16(24)19-5-6-26-4)27-17(13)21-9-20-15/h7-9H,5-6H2,1-4H3,(H,19,24)(H,20,21,22)
InChIKeyZIGVXGJXOFYHOU-UHFFFAOYSA-N
MW387.47 g/mol
LogP2.13
Rot. Bonds6

About 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-(2-methoxyethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-(2-methoxyethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 118734658) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-(2-methoxyethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-(2-methoxyethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID118734658
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC Name4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-(2-methoxyethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCCNC(=O)c1sc2ncnc(Nc3cc(C)cn(C)c3=O)c2c1C
InChIInChI=1S/C18H21N5O3S/c1-10-7-12(18(25)23(3)8-10)22-15-13-11(2)14(16(24)19-5-6-26-4)27-17(13)21-9-20-15/h7-9H,5-6H2,1-4H3,(H,19,24)(H,20,21,22)
InChIKeyZIGVXGJXOFYHOU-UHFFFAOYSA-N
XLogP2.13
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-(2-methoxyethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-(2-methoxyethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (CID 118734658) is 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-(2-methoxyethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-(2-methoxyethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-(2-methoxyethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is COCCNC(=O)c1sc2ncnc(Nc3cc(C)cn(C)c3=O)c2c1C.
What is the InChIKey of 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-(2-methoxyethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is ZIGVXGJXOFYHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S/c1-10-7-12(18(25)23(3)8-10)22-15-13-11(2)14(16(24)19-5-6-26-4)27-17(13)21-9-20-15/h7-9H,5-6H2,1-4H3,(H,19,24)(H,20,21,22).
What are the key properties of 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-(2-methoxyethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-(2-methoxyethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 387.47 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-(2-methoxyethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 118734658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).